General Information of the Compound
| Compound ID |
CP0213280
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| Compound Name |
6-[[[1-[2-(6-methoxy-3-methylsulfonyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
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| Structure |
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| Formula |
C27H31N5O6S
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| Molecular Weight |
553.641
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| Canonical SMILES |
COc1ccc2ncc(c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1)S(C)(=O)=O
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| InChI |
InChI=1S/C27H31N5O6S/c1-36-23-6-4-19-24(32-23)18(21(14-28-19)39(2,34)35)7-8-27-11-9-26(10-12-27,16-38-27)29-13-17-3-5-20-25(30-17)31-22(33)15-37-20/h3-6,14,29H,7-13,15-16H2,1-2H3,(H,30,31,33)
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| InChIKey |
FITQUUUWEHCOJD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound